1.0 2010-04-08 22:05:11 UTC 2020-02-24 19:10:23 UTC FDB001970 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone Isolated from peel of orange (Citrus sinensis). 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone is found in sweet orange and citrus. 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 5-Hydroxy-3,3',4',6,7,8-hexamethoxyflavone 5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone 5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone C21H22O9 418.394 418.126382302 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one 1176-88-1 COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1 InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3 JDVPHCLYMGBZLE-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 3-O-methylated flavonoids 3-methoxychromones 4'-O-methylated flavonoids 5-hydroxyflavonoids 6-O-methylated flavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 2.71 ALOGPS logs -4.19 ALOGPS solubility 2.68e-02 g/l ALOGPS melting_point Mp 110-111° logp 2.39 ChemAxon pka_strongest_acidic 9.46 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-chromen-4-one ChemAxon average_mass 418.394 ChemAxon mono_mass 418.126382302 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O)C(OC)=C(OC)C(OC)=C2O1 ChemAxon formula C21H22O9 ChemAxon inchi InChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3 ChemAxon inchikey JDVPHCLYMGBZLE-UHFFFAOYSA-N ChemAxon polar_surface_area 101.91 ChemAxon refractivity 107.99 ChemAxon polarizability 42.43 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44745 Specdb::MsMs 44746 Specdb::MsMs 44747 Specdb::MsMs 156372 Specdb::MsMs 156373 Specdb::MsMs 156374 Specdb::MsMs 451286 Specdb::MsMs 2436589 Specdb::MsMs 2436590 Specdb::MsMs 2436591 Specdb::MsMs 2528550 Specdb::MsMs 2528551 Specdb::MsMs 2528552 Specdb::CMs 18471 Specdb::CMs 41793 Specdb::CMs 137681 Specdb::CMs 145415 HMDB30161 #<Reference:0x000055ce32533b20> Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711